Home Carboxys 2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester

2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester

CAS No.:
729590-69-6
Catalog Number:
AG00FGP4
Molecular Formula:
C10H12BrNO2S
Molecular Weight:
290.1768
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
In Stock USA
United States
$182
- +
1g
90%
In Stock USA
United States
$432
- +
5g
90%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG00FGP4
Chemical Name:
2-Bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
CAS Number:
729590-69-6
Molecular Formula:
C10H12BrNO2S
Molecular Weight:
290.1768
MDL Number:
MFCD22565626
IUPAC Name:
ethyl 2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
InChI:
InChI=1S/C10H12BrNO2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h6H,2-5H2,1H3
InChI Key:
GVFHKLWRMWXOLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCc2c1nc(s2)Br
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.977g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.175g/mol
Monoisotopic Mass:
288.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties